SCHEMBL30409161

SCHEMBL30409161

Cc1cc(C(=O)Nc2ccc(C#N)cc2)ccc1N(CCN1CCOCC1)C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 19/20 0.81
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30408311 0.93 EPHX2 (0.93) EPHX2NPC1RAB9A
SCHEMBL30409987 0.90 EPHX2 (1.00) EPHX2NPC1RAB9A
SCHEMBL30409920 0.88 EPHX2 (0.84) EPHX2NPC1RAB9A
SCHEMBL30410023 0.88 EPHX2 (0.84) EPHX2NPC1RAB9A
SCHEMBL30410016 0.86 EPHX2 (1.00) EPHX2NPC1RAB9A
SCHEMBL30409658 0.85 EPHX2 (0.79) EPHX2NPC1RAB9A
SCHEMBL30410091 0.85 EPHX2 (1.00) EPHX2
SCHEMBL30409411 0.84 EPHX2 (0.77) EPHX2NPC1RAB9A
SCHEMBL30408138 0.84 EPHX2 (1.00) EPHX2
SCHEMBL30409211 0.83 EPHX2 (0.75) EPHX2NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116102525-B Benzamide derivatives and uses thereof 沈阳药科大学 2024-11-12 CN disclosed
CN-116102525-A Benzamide derivatives and uses thereof 沈阳药科大学 2023-05-12 CN disclosed